tert-butyl N-[3-[(6-acetamido-1,3-benzothiazol-2-yl)carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[(6-acetamido-1,3-benzothiazol-2-yl)carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[(6-acetamido-1,3-benzothiazol-2-yl)carbamoyl]phenyl]carbamate CAS Name: N-[3-[[(6-acetamido-1,3-benzothiazol-2-yl)amino]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(6-acetamido-1,3-benzothiazol-2-yl)carbamoyl]phenyl]carbamate Traditional Name: N-[3-[(6-acetamido-1,3-benzothiazol-2-yl)carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H22N4O4S/c1-12(26)22-15-8-9-16-17(11-15)30-19(24-16)25-18(27)13-6-5-7-14(10-13)23-20(28)29-21(2,3)4/h5-11H,1-4H3,(H,22,26)(H,23,28)(H,24,25,27)